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Information card for entry 4515389
Preview
| Coordinates | 4515389.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H8 Cd N6 O4 |
|---|---|
| Calculated formula | C11 H8 Cd N6 O4 |
| Title of publication | Strategic Design and Functionalization of an Amine-Decorated Luminescent Metal Organic Framework for Selective Gas/Vapor Sorption and Nanomolar Sensing of 2,4,6-Trinitrophenol in Water. |
| Authors of publication | Das, Prasenjit; Mandal, Sanjay K. |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2018 |
| Journal volume | 10 |
| Journal issue | 30 |
| Pages of publication | 25360 - 25371 |
| a | 15.2285 ± 0.0004 Å |
| b | 40.8194 ± 0.0014 Å |
| c | 13.2764 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8252.9 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.0238 |
| Residual factor for significantly intense reflections | 0.0217 |
| Weighted residual factors for significantly intense reflections | 0.0487 |
| Weighted residual factors for all reflections included in the refinement | 0.0492 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 225542 (current) | 2019-11-10 | cif/ Adding structures of 4515389 via cif-deposit CGI script. |
4515389.cif |
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Users of the data should acknowledge the original authors of the
structural data.